7-methyl-2-methylsulfanyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C7H8N4OS — CID 135538620

IUPAC7-methyl-2-methylsulfanyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCSc1nc2[nH]c(=O)cc(C)n2n1
InChIInChI=1S/C7H8N4OS/c1-4-3-5(12)8-6-9-7(13-2)10-11(4)6/h3H,1-2H3,(H,8,9,10,12)
InChIKeyIWEMVCYMNIZAKR-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.45
Rot. Bonds1

About 7-methyl-2-methylsulfanyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

7-methyl-2-methylsulfanyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 135538620) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is 7-methyl-2-methylsulfanyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-methylsulfanyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID135538620
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name7-methyl-2-methylsulfanyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCSc1nc2[nH]c(=O)cc(C)n2n1
InChIInChI=1S/C7H8N4OS/c1-4-3-5(12)8-6-9-7(13-2)10-11(4)6/h3H,1-2H3,(H,8,9,10,12)
InChIKeyIWEMVCYMNIZAKR-UHFFFAOYSA-N
XLogP0.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-methylsulfanyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-methylsulfanyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 135538620) is 7-methyl-2-methylsulfanyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-methylsulfanyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-methylsulfanyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CSc1nc2[nH]c(=O)cc(C)n2n1.
What is the InChIKey of 7-methyl-2-methylsulfanyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is IWEMVCYMNIZAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-4-3-5(12)8-6-9-7(13-2)10-11(4)6/h3H,1-2H3,(H,8,9,10,12).
What are the key properties of 7-methyl-2-methylsulfanyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-methyl-2-methylsulfanyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 196.23 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-methylsulfanyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135538620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).